2-[[1-(1,2,5-thiadiazol-3-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one

C15H19N5OS — CID 126924803

IUPAC2-[[1-(1,2,5-thiadiazol-3-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESO=c1cc2c(nn1CC1CCCN1c1cnsn1)CCCC2
InChIInChI=1S/C15H19N5OS/c21-15-8-11-4-1-2-6-13(11)17-20(15)10-12-5-3-7-19(12)14-9-16-22-18-14/h8-9,12H,1-7,10H2
InChIKeyGQZRGMNAEMLHEU-UHFFFAOYSA-N
MW317.42 g/mol
LogP1.64
Rot. Bonds3

About 2-[[1-(1,2,5-thiadiazol-3-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one

2-[[1-(1,2,5-thiadiazol-3-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 126924803) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is 2-[[1-(1,2,5-thiadiazol-3-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name2-[[1-(1,2,5-thiadiazol-3-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID126924803
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name2-[[1-(1,2,5-thiadiazol-3-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESO=c1cc2c(nn1CC1CCCN1c1cnsn1)CCCC2
InChIInChI=1S/C15H19N5OS/c21-15-8-11-4-1-2-6-13(11)17-20(15)10-12-5-3-7-19(12)14-9-16-22-18-14/h8-9,12H,1-7,10H2
InChIKeyGQZRGMNAEMLHEU-UHFFFAOYSA-N
XLogP1.64
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[1-(1,2,5-thiadiazol-3-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one with MolForge

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Related Compounds

2-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924752
2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924811
2-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924339
2-[[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924991
2-[2-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 126925000
2-[[1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-yl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924632
2-[2-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126914913
2-[[1-(cyclopropanecarbonyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924639
2-[2-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 126924997
2-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126925008
2-[[1-(cyclobutanecarbonyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924654
2-[[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924605

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1,2,5-thiadiazol-3-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of 2-[[1-(1,2,5-thiadiazol-3-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one (CID 126924803) is 2-[[1-(1,2,5-thiadiazol-3-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for 2-[[1-(1,2,5-thiadiazol-3-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for 2-[[1-(1,2,5-thiadiazol-3-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one is O=c1cc2c(nn1CC1CCCN1c1cnsn1)CCCC2.
What is the InChIKey of 2-[[1-(1,2,5-thiadiazol-3-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is GQZRGMNAEMLHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c21-15-8-11-4-1-2-6-13(11)17-20(15)10-12-5-3-7-19(12)14-9-16-22-18-14/h8-9,12H,1-7,10H2.
What are the key properties of 2-[[1-(1,2,5-thiadiazol-3-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
2-[[1-(1,2,5-thiadiazol-3-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 317.42 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1,2,5-thiadiazol-3-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 126924803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).